5-(1-carboxycyclohexyl)-2,4-dihydroxybenzoic acid

C14H16O6 — CID 117449718

IUPAC5-(1-carboxycyclohexyl)-2,4-dihydroxybenzoic acid
SMILESO=C(O)c1cc(C2(C(=O)O)CCCCC2)c(O)cc1O
InChIInChI=1S/C14H16O6/c15-10-7-11(16)9(6-8(10)12(17)18)14(13(19)20)4-2-1-3-5-14/h6-7,15-16H,1-5H2,(H,17,18)(H,19,20)
InChIKeyXGGXGJDTDDCMIC-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.08
Rot. Bonds3

About 5-(1-carboxycyclohexyl)-2,4-dihydroxybenzoic acid

5-(1-carboxycyclohexyl)-2,4-dihydroxybenzoic acid (PubChem CID 117449718) has the molecular formula C14H16O6 and a molecular weight of 280.28 g/mol. Its IUPAC name is 5-(1-carboxycyclohexyl)-2,4-dihydroxybenzoic acid.

Molecular Properties

Compound Name5-(1-carboxycyclohexyl)-2,4-dihydroxybenzoic acid
PubChem CID117449718
Molecular FormulaC14H16O6
Molecular Weight280.28 g/mol
Exact Mass280.09
IUPAC Name5-(1-carboxycyclohexyl)-2,4-dihydroxybenzoic acid
SMILESO=C(O)c1cc(C2(C(=O)O)CCCCC2)c(O)cc1O
InChIInChI=1S/C14H16O6/c15-10-7-11(16)9(6-8(10)12(17)18)14(13(19)20)4-2-1-3-5-14/h6-7,15-16H,1-5H2,(H,17,18)(H,19,20)
InChIKeyXGGXGJDTDDCMIC-UHFFFAOYSA-N
XLogP2.08
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-carboxycyclopropyl)-2,4-dihydroxybenzoic acid
CID 117348410
1-(4-fluoro-2,5-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117388630
1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117378800
1-(6-hydroxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexane-1-carboxylic acid
CID 117410085
1-(6-hydroxy-1,3-benzodioxol-5-yl)cyclohexane-1-carboxylic acid
CID 117414750
1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)cyclohexane-1-carboxylic acid
CID 117445875
5-(1-carboxycyclohexyl)-2-fluoro-4-methylbenzoic acid
CID 117449792
1-(2,6-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117344540
1-(4-fluoro-2,5-dihydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117302547
5-(1-carboxycyclobutyl)-4-fluoro-2-methylbenzoic acid
CID 117383281
5-(1-carboxycyclohexyl)-3-fluoro-2-hydroxybenzoic acid
CID 117453420
1-(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxylic acid
CID 117438542

Frequently Asked Questions

What is the IUPAC name of 5-(1-carboxycyclohexyl)-2,4-dihydroxybenzoic acid?
The IUPAC name of 5-(1-carboxycyclohexyl)-2,4-dihydroxybenzoic acid (CID 117449718) is 5-(1-carboxycyclohexyl)-2,4-dihydroxybenzoic acid.
What is the SMILES notation for 5-(1-carboxycyclohexyl)-2,4-dihydroxybenzoic acid?
The canonical SMILES for 5-(1-carboxycyclohexyl)-2,4-dihydroxybenzoic acid is O=C(O)c1cc(C2(C(=O)O)CCCCC2)c(O)cc1O.
What is the InChIKey of 5-(1-carboxycyclohexyl)-2,4-dihydroxybenzoic acid?
The InChIKey is XGGXGJDTDDCMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O6/c15-10-7-11(16)9(6-8(10)12(17)18)14(13(19)20)4-2-1-3-5-14/h6-7,15-16H,1-5H2,(H,17,18)(H,19,20).
What are the key properties of 5-(1-carboxycyclohexyl)-2,4-dihydroxybenzoic acid?
5-(1-carboxycyclohexyl)-2,4-dihydroxybenzoic acid has a molecular weight of 280.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-carboxycyclohexyl)-2,4-dihydroxybenzoic acid is sourced from PubChem (CID 117449718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).